1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol

C23H26FN3O — CID 73296738

IUPAC1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol
SMILESCc1cc2c3c(n(CC(C)(O)c4ccncc4)c2cc1F)CCN1CCCC31
InChIInChI=1S/C23H26FN3O/c1-15-12-17-21(13-18(15)24)27(14-23(2,28)16-5-8-25-9-6-16)20-7-11-26-10-3-4-19(26)22(17)20/h5-6,8-9,12-13,19,28H,3-4,7,10-11,14H2,1-2H3
InChIKeyQBNFIOMJNZGMOL-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.08
Rot. Bonds3

About 1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol

1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol (PubChem CID 73296738) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol
PubChem CID73296738
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol
SMILESCc1cc2c3c(n(CC(C)(O)c4ccncc4)c2cc1F)CCN1CCCC31
InChIInChI=1S/C23H26FN3O/c1-15-12-17-21(13-18(15)24)27(14-23(2,28)16-5-8-25-9-6-16)20-7-11-26-10-3-4-19(26)22(17)20/h5-6,8-9,12-13,19,28H,3-4,7,10-11,14H2,1-2H3
InChIKeyQBNFIOMJNZGMOL-UHFFFAOYSA-N
XLogP4.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?
The IUPAC name of 1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol (CID 73296738) is 1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol is Cc1cc2c3c(n(CC(C)(O)c4ccncc4)c2cc1F)CCN1CCCC31.
What is the InChIKey of 1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?
The InChIKey is QBNFIOMJNZGMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-15-12-17-21(13-18(15)24)27(14-23(2,28)16-5-8-25-9-6-16)20-7-11-26-10-3-4-19(26)22(17)20/h5-6,8-9,12-13,19,28H,3-4,7,10-11,14H2,1-2H3.
What are the key properties of 1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol?
1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol has a molecular weight of 379.48 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 73296738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).